SCHEMBL11682829

SCHEMBL11682829

O=C1OCCCOC(=O)c2cc(Br)c1cc2Br

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.34
L3MBTL4 Q8NA19 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
NAMPT P43490 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10898100 0.95 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL11648484 0.91 MAOA (0.33) SMN1; SMN2MAOAMAOBMAPTLMNA
SCHEMBL11761945 0.77 MAOA (0.35) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
Terephthalic Acid SCHEMBL11776560 0.75 CYP2C8 (0.42) ALDH1A1HPGDCA1CA9
SCHEMBL28500409 0.73 MAOA (0.50) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL30413722 0.73 MAOA (0.50) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL11741409 0.73 CA1 (0.36) ALDH1A1HPGDMAOAMAOBCA1
SCHEMBL30219513 0.71 MAOA (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL2360787 0.71 MAOA (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL28382443 0.71 MAOA (0.33) MAOAMAOBCA1CA9NAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001188-A Dimethyl 2,5-dibromoterephthalate esterification STANDARD OIL COMPANY (INDIANA) (US) 1977-01-04 US claimed
US-4001188-A Dimethyl 2,5-dibromoterephthalate esterification STANDARD OIL COMPANY (INDIANA) (US) 1977-01-04 US disclosed